Vitas-M small molecule compound
(12aS)-2-{[(E)-(2-chloro-6-fluorophenyl)methylidene]amino}-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL537246
SMILES O=C1N(/N=C/c2c(F)cccc2Cl)CC(=O)N2[C@H]1Cc1c(C2)[nH]c2c1cccc2
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C21H16ClFN4O2 MW 410.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16ClFN4O2/c22-15-5-3-6-16(23)14(15)9-24-27-11-20(28)26-10-18-13(8-19(26)21(27)29)12-4-1-2-7-17(12)25-18/h1-7,9,19,25H,8,10-11H2/b24-9+/t19-/m0/s1InChIKey
QXKVJIYGCXRHBQ-TVLIKWEDSA-NSynonyms
(12aS)2(((E)(2chloro6fluorophenyl)methylidene)amino)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(8~(S))6((~(E))(2chloro6fluorophenyl)methylideneamino)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
(SE)2((2chloro6fluorobenzylidene)amino)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
6876062
InChI=1SC21H16ClFN4O2c221553616(23)14(15)924271120(28)26101813(819(26)21(27)29)12412717(12)2518h1791925H81011H2b249+t19m0s1
MFCD03853759
O=C1N(N=Cc2c(F)cccc2Cl)CC(=O)N2(C@H)1Cc1c(C2)(nH)c2c1cccc2
ZINC000002151699
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